N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C26H35N7O4 — CID 137450083

IUPACN-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(C3CCC(C)(OC)CC3)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12
InChIInChI=1S/C26H35N7O4/c1-26(37-4)11-9-16(10-12-26)32-13-5-6-19(25(32)35)29-21-14-22(27-2)33-23(31-21)17(15-28-33)24(34)30-18-7-8-20(18)36-3/h5-6,13-16,18,20,27H,7-12H2,1-4H3,(H,29,31)(H,30,34)/t16?,18-,20-,26?/m0/s1
InChIKeyOWIHZPLRVXVHQR-YQMDSHAZSA-N
MW509.61 g/mol
LogP3.10
Rot. Bonds8

About N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137450083) has the molecular formula C26H35N7O4 and a molecular weight of 509.61 g/mol. Its IUPAC name is N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137450083
Molecular FormulaC26H35N7O4
Molecular Weight509.61 g/mol
Exact Mass509.28
IUPAC NameN-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(C3CCC(C)(OC)CC3)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12
InChIInChI=1S/C26H35N7O4/c1-26(37-4)11-9-16(10-12-26)32-13-5-6-19(25(32)35)29-21-14-22(27-2)33-23(31-21)17(15-28-33)24(34)30-18-7-8-20(18)36-3/h5-6,13-16,18,20,27H,7-12H2,1-4H3,(H,29,31)(H,30,34)/t16?,18-,20-,26?/m0/s1
InChIKeyOWIHZPLRVXVHQR-YQMDSHAZSA-N
XLogP3.10
TPSA123.81 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.61
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137450083) is N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(C3CCC(C)(OC)CC3)c2=O)nc2c(C(=O)N[C@H]3CC[C@@H]3OC)cnn12.
What is the InChIKey of N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OWIHZPLRVXVHQR-YQMDSHAZSA-N. The full InChI is InChI=1S/C26H35N7O4/c1-26(37-4)11-9-16(10-12-26)32-13-5-6-19(25(32)35)29-21-14-22(27-2)33-23(31-21)17(15-28-33)24(34)30-18-7-8-20(18)36-3/h5-6,13-16,18,20,27H,7-12H2,1-4H3,(H,29,31)(H,30,34)/t16?,18-,20-,26?/m0/s1.
What are the key properties of N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 509.61 g/mol, XLogP of 3.10, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-methoxycyclobutyl]-5-[[1-(4-methoxy-4-methylcyclohexyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137450083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).